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To this end, new measurements of the formamide and formamide\u2013water vibrational spectra have been performed using low-temperature argon matrix isolation fourier transform infrared (MI-FTIR) spectroscopy. Analysis and interpretation of experimental spectra have been supported by fully anharmonic vibrational second-order perturbation theory computations, which allowed the assignment of additional nonfundamental bands of formamide as well as for unveiling an elusive formamide\u2013water structure. This intermolecular complex, characterized by an O\u00b7\u00b7\u00b7H\u2013O hydrogen bond, had not been identified in prior MI-FTIR studies, although it was observed in the gas phase.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c02029","type":"journal-article","created":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T14:03:40Z","timestamp":1785852220000},"page":"6528-6542","source":"Crossref","is-referenced-by-count":1,"title":["Spectroscopic Features\nof Weak Intermolecular Interactions:\nIR Spectrum of the Formamide\u2013Water Complex Revisited"],"prefix":"10.1021","volume":"130","author":[{"given":"Justyna","family":"Krupa","sequence":"first","affiliation":[{"name":"University of Wroclaw , , F. Joliot-Curie 14 , ,","place":["Wroclaw, Poland, 50-383"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3152-3261","authenticated-orcid":true,"given":"Silvia","family":"Alessandrini","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Bologna , , Via P. Gobetti 85 , ,","place":["Bologna, Italy, 40129"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2395-8532","authenticated-orcid":true,"given":"Cristina","family":"Puzzarini","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Bologna , , Via P. Gobetti 85 , ,","place":["Bologna, Italy, 40129"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6439-5561","authenticated-orcid":true,"given":"Malgorzata","family":"Biczysko","sequence":"additional","affiliation":[{"name":"University of Wroclaw , , F. 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